4-(azepan-1-ylcarbonyl)-9-methyl-2-(2-methylpropyl)pyrido[3,4-b]indol-1-one

Systemtic Name: 4-(azepan-1-ylcarbonyl)-9-methyl-2-(2-methylpropyl)pyrido[3,4-b]indol-1-one Openeye Name: 4-(azepane-1-carbonyl)-2-isobutyl-9-methyl-pyrido[3,4-b]indol-1-one CAS Name: 4-[1-azepanyl(oxo)methyl]-9-methyl-2-(2-methylpropyl)-1-pyrido[3,4-b]indolone IUPAC Name: 4-(azepane-1-carbonyl)-9-methyl-2-(2-methylpropyl)pyrido[3,4-b]indol-1-one Traditional Name: 4-(azepane-1-carbonyl)-2-isobutyl-9-methyl-$b-carbolin-1-one Formula: C23H29N3O2 MolecularWeight: 379.49526

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=C(C2=C(C1=O)N(C3=CC=CC=C32)C)C(=O)N4CCCCCC4

Isomeric SMILES

CC(C)CN1C=C(C2=C(C1=O)N(C3=CC=CC=C32)C)C(=O)N4CCCCCC4

InChI

InChI=1S/C23H29N3O2/c1-16(2)14-26-15-18(22(27)25-12-8-4-5-9-13-25)20-17-10-6-7-11-19(17)24(3)21(20)23(26)28/h6-7,10-11,15-16H,4-5,8-9,12-14H2,1-3H3